CID 112756757

2-bromo-4-ethyl-1,3-oxazole

Structural Information

Molecular Formula
C5H6BrNO
SMILES
CCC1=COC(=N1)Br
InChI
InChI=1S/C5H6BrNO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKey
SJMPARYLBJMBSD-UHFFFAOYSA-N
Compound name
2-bromo-4-ethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

174.96329 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97057 126.8
[M+Na]+ 197.95251 140.2
[M-H]- 173.95601 133.0
[M+NH4]+ 192.99711 150.2
[M+K]+ 213.92645 131.8
[M+H-H2O]+ 157.96055 127.4
[M+HCOO]- 219.96149 149.0
[M+CH3COO]- 233.97714 176.1
[M+Na-2H]- 195.93796 136.0
[M]+ 174.96274 147.4
[M]- 174.96384 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe